4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile

C14H14N4O — CID 115143518

IUPAC4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCCc1ccc(N(C)c2cc(C#N)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N4O/c1-3-10-4-6-12(7-5-10)18(2)13-8-11(9-15)16-14(19)17-13/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyYSQQTOMPONUNEB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.97
Rot. Bonds3

About 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile

4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143518) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143518
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCCc1ccc(N(C)c2cc(C#N)[nH]c(=O)n2)cc1
InChIInChI=1S/C14H14N4O/c1-3-10-4-6-12(7-5-10)18(2)13-8-11(9-15)16-14(19)17-13/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyYSQQTOMPONUNEB-UHFFFAOYSA-N
XLogP1.97
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1594702
CID 1594702
CID 78387
CID 78387
CID 427330
CID 427330
CID 2328289
CID 2328289
CID 44325238
CID 44325238
CID 44325252
CID 44325252
CID 44325272
CID 44325272
CID 44522498
CID 44522498
CID 166632164
CID 166632164
CID 5742278
CID 5742278
CID 12448972
CID 12448972
CID 89091464
CID 89091464

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143518) is 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is CCc1ccc(N(C)c2cc(C#N)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is YSQQTOMPONUNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-10-4-6-12(7-5-10)18(2)13-8-11(9-15)16-14(19)17-13/h4-8H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile?
4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-N-methylanilino)-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).